tert-butyl (1S,3S,6R,8aR)-6-azanyl-1-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethyl]-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate

Systemtic Name: tert-butyl (1S,3S,6R,8aR)-6-azanyl-1-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethyl]-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate Openeye Name: tert-butyl (1S,3S,6R,8aR)-6-amino-1-[2-[bis(benzyloxycarbonylamino)methyleneamino]ethyl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate CAS Name: (1S,3S,6R,8aR)-6-amino-1-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethyl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,3S,6R,8aR)-6-amino-1-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethyl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate Traditional Name: (1S,3S,6R,8aR)-6-amino-1-[2-[bis(benzyloxycarbonylamino)methyleneamino]ethyl]-5-keto-indolizidine-3-carboxylic acid tert-butyl ester Formula: C32H41N5O7 MolecularWeight: 607.69724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(C2N1C(=O)C(CC2)N)CCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@@H]([C@@H]2N1C(=O)[C@@H](CC2)N)CCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H41N5O7/c1-32(2,3)44-28(39)26-18-23(25-15-14-24(33)27(38)37(25)26)16-17-34-29(35-30(40)42-19-21-10-6-4-7-11-21)36-31(41)43-20-22-12-8-5-9-13-22/h4-13,23-26H,14-20,33H2,1-3H3,(H2,34,35,36,40,41)/t23-,24+,25+,26-/m0/s1